2-Bromobenzenesulphonyl chloride

The 2-Bromobenzenesulphonyl chloride is an organic compound with the formula C₆H₄BrClO₂S. The IUPAC name of this chemical is 2-bromobenzenesulfonyl chloride. With the CAS registry number 2905-25-1, it is also named as Benzene, 1-bromo-2-chlorosulfonyl-. The product's categories are Blocks; Bromides; Sulfonamides; Phenyls & Phenyl-Het; Sulphonyl Chlorides; Benzenesulfonyl Chloride; Sulfonyl Chloride; Aryl; Organohalides; Phenyls & Phenyl-Het; Sulphonyl Chlorides; Organic Building Blocks; Sulfonyl Halides; Sulfur Compounds. Besides, it should be stored in a cool and dry place.

Physical properties about 2-Bromobenzenesulphonyl chloride are: (1)ACD/LogP: 2.52; (2)ACD/LogD (pH 5.5): 2.52; (3)ACD/LogD (pH 7.4): 2.52; (4)ACD/BCF (pH 5.5): 48.27; (5)ACD/BCF (pH 7.4): 48.27; (6)ACD/KOC (pH 5.5): 558.17; (7)ACD/KOC (pH 7.4): 558.17; (8)#H bond acceptors: 2 ; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 42.52 Å²; (11)Index of Refraction: 1.591; (12)Molar Refractivity: 48.12 cm³; (13)Molar Volume: 142.2 cm³; (14)Polarizability: 19.07×10^-24cm³; (15)Surface Tension: 47.3 dyne/cm; (16)Density: 1.795 g/cm³; (17)Flash Point: 142.7 °C; (18)Enthalpy of Vaporization: 53.13 kJ/mol; (19)Boiling Point: 312.4 °C at 760 mmHg; (20)Vapour Pressure: 0.000974 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-bromo-2-methoxymethylsulfanyl-benzene. This reaction will need reagent Cl₂, H₂O and solvent CH₂Cl₂. The reaction time is 1 hours with reaction temperature of 5 - 10 °C. The yield is about 95%.

Uses of 2-Bromobenzenesulphonyl chloride: it can be used to produce 1-(2-bromo-benzenesulfonyl)-2,5-dihydro-1H-pyrrole at room temperature. It will need reagent N(Et)₃ and solvent CH₂Cl₂ with reaction time of 16 hours. The yield is about 66%.

When you are using this chemical, please be cautious about it as the This chemical can cause burns. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible). When you are using it, wear suitable gloves and eye/face protection and take off immediately all contaminated clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(Cl)(=O)c1ccccc1Br
(2)InChI: InChI=1/C6H4BrClO2S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H
(3)InChIKey: VFPWGZNNRSQPBT-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C6H4BrClO2S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H
(5)Std. InChIKey: VFPWGZNNRSQPBT-UHFFFAOYSA-N